#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g2s n PRO 3 N 0.00 2.31 -2.23 3.44 -0.02 -1.26 -4.91 135.00 132.33 3g2s n PRO 3 Ca 0.00 0.83 -0.42 0.00 -2.02 0.00 0.00 63.50 61.89 3g2s n PRO 3 Cb 0.00 -2.59 -0.03 0.00 -0.02 0.00 0.00 33.50 30.86 3g2s n PRO 3 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g2s s ALA 4 N 0.61 3.54 0.09 3.55 0.00 -1.26 -4.95 121.76 123.33 3g2s s ALA 4 Ca 0.74 1.06 -0.05 0.00 0.00 0.00 0.00 51.96 53.71 3g2s s ALA 4 Cb -0.62 -3.51 -0.24 0.00 0.00 0.00 0.00 23.12 18.75 3g2s s ALA 4 CO 0.41 -0.57 1.17 0.52 0.00 0.00 0.00 175.76 177.30 3g2s h MET 5 N 6.64 0.30 -6.64 0.00 2.86 -2.08 -3.46 114.93 112.56 3g2s h MET 5 Ca -0.42 -0.47 -0.53 0.00 -2.06 0.00 0.00 59.70 56.22 3g2s h MET 5 Cb 1.21 0.17 0.04 0.00 0.06 0.00 0.00 31.60 33.08 3g2s h MET 5 CO 0.84 1.20 0.81 -2.00 1.06 0.00 0.00 176.91 178.83 3g2s s GLU 6 N -2.78 4.25 0.32 1.72 2.12 -1.26 -4.90 118.70 118.16 3g2s s GLU 6 Ca -0.04 2.29 -0.29 0.00 0.36 0.00 0.00 54.97 57.28 3g2s s GLU 6 Cb 0.07 -3.16 -0.11 0.00 0.26 0.00 0.00 34.13 31.19 3g2s s GLU 6 CO 0.88 -0.52 1.57 -2.14 -0.54 0.00 0.00 175.26 174.51 3g2s s PRO 7 N 0.67 4.11 0.40 4.30 0.02 -1.26 -4.94 135.00 138.30 3g2s s PRO 7 Ca 0.66 2.59 -0.25 0.00 0.02 0.00 0.00 61.00 64.01 3g2s s PRO 7 Cb -0.42 -3.00 -0.11 0.00 0.02 0.00 0.00 34.50 30.99 3g2s s PRO 7 CO 0.35 -0.61 1.14 -1.91 -0.33 0.00 0.00 177.00 175.63 3g2s n GLU 8 N 1.69 1.65 -1.84 5.54 2.13 -1.26 -4.97 120.64 123.58 3g2s n GLU 8 Ca 0.06 0.59 -0.32 0.00 0.66 0.00 0.00 57.16 58.14 3g2s n GLU 8 Cb 0.38 -2.19 0.03 0.00 0.27 0.00 0.00 31.44 29.93 3g2s n GLU 8 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3g2s s THR 9 N -1.21 3.63 0.38 6.31 -4.23 -1.26 -4.89 115.64 114.37 3g2s s THR 9 Ca 0.61 0.72 0.05 0.00 -1.18 0.00 0.00 61.69 61.89 3g2s s THR 9 Cb -0.55 -3.26 0.24 0.00 1.34 0.00 0.00 72.50 70.27 3g2s s THR 9 CO 0.58 -0.51 2.01 -0.07 -0.54 0.00 0.00 174.62 176.09 3g2s h LEU 10 N 0.05 0.55 -0.30 4.79 3.38 -1.96 -0.84 115.31 120.99 3g2s h LEU 10 Ca -0.46 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.45 3g2s h LEU 10 Cb 1.23 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 3g2s h LEU 10 CO 0.56 0.44 0.07 -0.33 0.09 0.00 0.00 178.44 179.27 3g2s h GLU 11 N 0.63 0.48 -0.72 1.13 3.07 -1.99 -0.65 114.58 116.53 3g2s h GLU 11 Ca 0.16 -0.12 -0.04 0.00 -0.50 0.00 0.00 59.36 58.87 3g2s h GLU 11 Cb 0.01 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 27.83 3g2s h GLU 11 CO -0.03 0.55 0.30 0.00 -1.40 0.00 0.00 179.01 178.44 3g2s h ALA 12 N 0.90 0.93 -0.02 3.43 0.00 -1.79 -1.68 119.26 121.03 3g2s h ALA 12 Ca 0.09 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3g2s h ALA 12 Cb 0.29 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3g2s h ALA 12 CO 0.00 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.79 3g2s h ARG 13 N 1.02 0.03 -0.21 0.00 3.08 -1.04 -2.86 114.38 114.39 3g2s h ARG 13 Ca 0.24 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.21 3g2s h ARG 13 Cb 0.19 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 3g2s h ARG 13 CO -0.02 0.27 -0.18 0.97 -1.07 0.00 0.00 179.97 179.94 3g2s h ILE 14 N -0.22 1.23 -0.12 2.04 6.09 -0.96 -1.12 117.51 124.44 3g2s h ILE 14 Ca 0.01 -1.04 -0.05 0.00 -1.37 0.00 0.00 64.86 62.41 3g2s h ILE 14 Cb 0.26 1.27 -0.01 0.00 0.47 0.00 0.00 36.82 38.81 3g2s h ILE 14 CO 0.00 0.33 -0.14 0.78 -3.07 0.00 0.00 178.15 176.04 3g2s h ASN 15 N 0.34 0.17 0.56 2.19 2.35 -1.29 -1.09 115.58 118.82 3g2s h ASN 15 Ca 0.06 -0.03 -0.29 0.00 -0.55 0.00 0.00 56.30 55.49 3g2s h ASN 15 Cb 0.52 -0.04 0.01 0.00 0.05 0.00 0.00 38.32 38.85 3g2s h ASN 15 CO 0.03 0.34 -1.32 -0.09 -1.65 0.00 0.00 177.43 174.74 3g2s h ARG 16 N 0.17 0.30 0.00 0.81 2.43 -1.22 -2.49 114.38 114.39 3g2s h ARG 16 Ca 0.04 -0.51 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 3g2s h ARG 16 Cb 0.37 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 3g2s h ARG 16 CO 0.02 1.23 0.00 0.00 -1.51 0.00 0.00 179.97 179.71 3g2s h ALA 17 N 0.52 1.00 0.00 2.80 0.00 -0.87 -3.28 119.26 119.43 3g2s h ALA 17 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3g2s h ALA 17 Cb 2.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.79 3g2s h ALA 17 CO 0.20 0.00 -0.03 0.25 0.00 0.00 0.00 179.25 179.67 3g2s n THR 18 N -3.06 0.98 -1.72 0.00 -2.24 -0.44 -4.69 114.28 103.11 3g2s n THR 18 Ca 0.02 -1.07 -0.42 0.00 -2.27 0.00 0.00 64.05 60.31 3g2s n THR 18 Cb 0.40 0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 69.00 3g2s n THR 18 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3g2s s ASN 19 N -1.28 6.44 0.57 3.42 3.84 -0.94 -4.47 114.94 122.52 3g2s s ASN 19 Ca 0.07 2.73 0.35 0.00 0.21 0.00 0.00 52.86 56.23 3g2s s ASN 19 Cb 0.06 -2.56 1.93 0.00 -0.55 0.00 0.00 41.25 40.14 3g2s s ASN 19 CO 0.01 -1.01 2.08 -0.65 -2.79 0.00 0.00 177.10 174.74 3g2s h PRO 20 N 9.03 0.00 0.00 0.43 0.11 -1.90 -1.88 132.00 137.79 3g2s h PRO 20 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3g2s h PRO 20 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 3g2s h PRO 20 CO 0.95 0.00 -0.06 -0.07 -0.21 0.00 0.00 178.00 178.61 3g2s h LEU 21 N 0.00 0.00 -9.44 2.35 3.38 -1.98 -3.46 115.31 106.16 3g2s h LEU 21 Ca 0.00 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.35 3g2s h LEU 21 Cb 0.14 0.00 0.06 0.00 0.09 0.00 0.00 40.66 40.95 3g2s h LEU 21 CO 0.00 0.06 0.64 0.59 0.09 0.00 0.00 178.44 179.82 3g2s n ASN 22 N -3.13 2.52 0.13 -0.43 3.02 -0.71 -4.88 115.26 111.78 3g2s n ASN 22 Ca 0.03 1.10 0.02 0.00 -0.03 0.00 0.00 54.58 55.70 3g2s n ASN 22 Cb 0.48 -1.34 0.02 0.00 -0.61 0.00 0.00 39.78 38.32 3g2s n ASN 22 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3g2s h LYS 23 N 5.15 0.00 -3.77 3.52 1.57 -1.90 -3.47 116.57 117.68 3g2s h LYS 23 Ca -0.46 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.24 3g2s h LYS 23 Cb 1.29 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.47 3g2s h LYS 23 CO 0.83 0.50 -0.25 -1.21 -0.57 0.00 0.00 179.45 178.74 3g2s s GLU 24 N -2.96 1.18 0.10 3.15 0.41 -1.26 -5.13 118.70 114.20 3g2s s GLU 24 Ca 0.04 -1.10 -0.36 0.00 -0.41 0.00 0.00 54.97 53.13 3g2s s GLU 24 Cb 0.08 0.40 -0.16 0.00 -1.78 0.00 0.00 34.13 32.67 3g2s s GLU 24 CO 0.75 -0.45 1.40 1.28 -0.49 0.00 0.00 175.26 177.75 3g2s n LEU 25 N -0.23 1.98 -4.27 1.80 4.77 -1.26 -4.90 117.00 114.90 3g2s n LEU 25 Ca -0.08 1.11 -0.44 0.00 -0.03 0.00 0.00 56.01 56.57 3g2s n LEU 25 Cb 0.63 -1.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.47 3g2s n LEU 25 CO 0.23 -0.87 1.41 -0.67 -1.33 0.00 0.00 177.39 176.16 3g2s n ASP 26 N 2.73 5.34 0.20 -1.43 -0.08 -1.26 -4.87 116.55 117.18 3g2s n ASP 26 Ca 0.18 -3.05 0.07 0.00 -1.51 0.00 0.00 54.79 50.47 3g2s n ASP 26 Cb 0.21 -1.49 0.57 0.00 2.34 0.00 0.00 41.12 42.75 3g2s n ASP 26 CO 0.00 0.00 0.00 -0.50 0.12 0.00 0.00 177.20 176.82 3g2s h TRP 27 N 6.60 0.12 -0.36 -0.67 4.06 -1.97 -0.23 115.95 123.50 3g2s h TRP 27 Ca 0.30 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 61.22 3g2s h TRP 27 Cb 0.80 -0.04 -0.01 0.00 -1.00 0.00 0.00 29.16 28.90 3g2s h TRP 27 CO 1.07 0.10 0.08 0.00 -3.56 0.00 0.00 178.44 176.13 3g2s h ALA 28 N 1.91 0.48 -0.41 1.49 0.00 -1.99 0.23 119.26 120.98 3g2s h ALA 28 Ca 0.03 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 3g2s h ALA 28 Cb 0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3g2s h ALA 28 CO -0.00 0.16 -0.19 0.77 0.00 0.00 0.00 179.25 179.99 3g2s h SER 29 N 0.44 0.88 0.08 0.00 0.02 -1.80 -0.20 113.55 112.97 3g2s h SER 29 Ca 0.11 -0.40 -0.00 0.00 -0.84 0.00 0.00 61.79 60.66 3g2s h SER 29 Cb 0.32 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.62 3g2s h SER 29 CO 0.00 1.08 -0.04 0.40 -1.14 0.00 0.00 176.83 177.14 3g2s h ILE 30 N 0.67 0.96 -0.56 3.27 2.04 -0.74 -0.75 117.51 122.41 3g2s h ILE 30 Ca 0.09 -0.13 -0.08 0.00 1.00 0.00 0.00 64.86 65.74 3g2s h ILE 30 Cb 0.75 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 3g2s h ILE 30 CO 0.06 0.03 0.03 0.78 0.00 0.00 0.00 178.15 179.06 3g2s h ASN 31 N -0.17 0.90 -0.84 1.72 2.35 -0.59 -2.47 115.58 116.47 3g2s h ASN 31 Ca -0.01 -0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 55.50 3g2s h ASN 31 Cb 0.14 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.23 3g2s h ASN 31 CO 0.02 0.94 0.48 1.23 -1.65 0.00 0.00 177.43 178.44 3g2s h GLY 32 N 1.00 1.25 0.97 2.83 0.00 -0.80 -1.16 103.07 107.16 3g2s h GLY 32 Ca 0.17 -0.55 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 3g2s h GLY 32 CO 0.02 0.53 0.18 -2.75 0.00 0.00 0.00 176.54 174.52 3g2s h PHE 33 N 1.17 0.75 -0.62 5.60 3.04 -0.70 -2.31 116.94 123.87 3g2s h PHE 33 Ca 0.30 -0.06 -0.07 0.00 3.98 0.00 0.00 57.97 62.11 3g2s h PHE 33 Cb 0.01 -0.22 -0.02 0.00 2.56 0.00 0.00 35.95 38.27 3g2s h PHE 33 CO 0.00 0.64 0.10 0.00 -2.02 0.00 0.00 178.31 177.03 3g2s h GLU 35 N 0.94 0.00 0.00 0.00 5.08 -1.13 -3.23 114.58 116.24 3g2s h GLU 35 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3g2s h GLU 35 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3g2s h GLU 35 CO 0.01 0.18 -1.88 0.94 -1.00 0.00 0.00 179.01 177.26 3g2s n GLN 36 N -3.74 0.59 0.11 2.33 -0.06 -0.88 -4.40 117.38 111.33 3g2s n GLN 36 Ca -0.02 -0.18 0.12 0.00 -2.00 0.00 0.00 57.00 54.93 3g2s n GLN 36 Cb 0.29 -1.51 0.46 0.00 -4.06 0.00 0.00 30.24 25.42 3g2s n GLN 36 CO 0.00 0.00 0.00 1.47 -0.20 0.00 0.00 177.06 178.33 3g2s n LEU 37 N -2.17 0.63 -0.09 1.69 -0.00 -0.99 -2.86 117.00 113.21 3g2s n LEU 37 Ca -0.03 0.62 0.15 0.00 -0.00 0.00 0.00 56.01 56.75 3g2s n LEU 37 Cb 0.54 -0.48 0.82 0.00 -0.00 0.00 0.00 43.42 44.29 3g2s n LEU 37 CO 0.45 -0.39 1.03 0.59 -0.00 0.00 0.00 177.39 179.08 3g2s n ASN 38 N -2.15 0.30 0.18 1.45 4.13 -1.26 -2.90 115.26 115.01 3g2s n ASN 38 Ca 0.04 -0.92 0.13 0.00 1.68 0.00 0.00 54.58 55.51 3g2s n ASN 38 Cb 0.30 -0.04 0.38 0.00 -1.54 0.00 0.00 39.78 38.87 3g2s n ASN 38 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 3g2s h GLU 39 N 0.44 0.00 -4.38 3.52 4.39 -1.82 -3.45 114.58 113.28 3g2s h GLU 39 Ca 0.00 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.34 3g2s h GLU 39 Cb 0.16 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 28.72 3g2s h GLU 39 CO 0.00 0.00 -0.26 0.16 -1.16 0.00 0.00 179.01 177.75 3g2s s ASP 40 N -5.29 1.29 0.16 1.42 -4.77 -1.26 -5.05 116.67 103.17 3g2s s ASP 40 Ca 0.07 -1.62 -0.10 0.00 -3.30 0.00 0.00 52.55 47.60 3g2s s ASP 40 Cb 0.09 0.65 0.00 0.00 -1.09 0.00 0.00 42.92 42.57 3g2s s ASP 40 CO 0.59 -1.27 1.51 0.15 0.70 0.00 0.00 175.17 176.85 3g2s h PHE 41 N 2.07 1.09 0.00 2.11 3.04 -1.92 -3.06 116.94 120.27 3g2s h PHE 41 Ca -0.27 -0.31 0.00 0.00 3.98 0.00 0.00 57.97 61.37 3g2s h PHE 41 Cb 1.24 -0.24 0.00 0.00 2.56 0.00 0.00 35.95 39.51 3g2s h PHE 41 CO 1.72 1.12 0.00 0.39 -2.02 0.00 0.00 178.31 179.52 3g2s n GLU 42 N -4.07 0.00 0.21 1.11 -0.58 -1.26 -4.33 120.64 111.72 3g2s n GLU 42 Ca -0.01 0.16 -0.09 0.00 -0.42 0.00 0.00 57.16 56.79 3g2s n GLU 42 Cb 0.52 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.85 3g2s n GLU 42 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 3g2s h GLY 43 N 3.44 -0.66 1.11 0.62 0.00 -1.69 -2.52 103.07 103.37 3g2s h GLY 43 Ca 0.00 0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.56 3g2s h GLY 43 CO 0.00 -0.23 0.40 -2.55 0.00 0.00 0.00 176.54 174.16 3g2s h PRO 44 N -0.55 1.15 -0.61 4.80 0.11 -1.72 0.50 132.00 135.68 3g2s h PRO 44 Ca -0.05 -0.16 -0.07 0.00 0.11 0.00 0.00 66.00 65.84 3g2s h PRO 44 Cb 0.43 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.30 3g2s h PRO 44 CO 0.07 0.87 0.13 -1.35 -0.21 0.00 0.00 178.00 177.51 3g2s h PRO 45 N 1.15 1.00 -0.42 1.05 0.11 -1.83 -1.61 132.00 131.45 3g2s h PRO 45 Ca 0.28 -0.25 0.02 0.00 0.11 0.00 0.00 66.00 66.16 3g2s h PRO 45 Cb 0.09 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.04 3g2s h PRO 45 CO -0.04 0.92 0.23 1.25 -0.21 0.00 0.00 178.00 180.16 3g2s h LEU 46 N 0.91 0.36 -0.72 2.35 5.85 -1.04 -2.07 115.31 120.95 3g2s h LEU 46 Ca 0.19 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.99 3g2s h LEU 46 Cb 0.39 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 3g2s h LEU 46 CO 0.01 0.26 0.40 0.00 -0.34 0.00 0.00 178.44 178.77 3g2s h ALA 47 N 1.20 0.98 -0.17 1.25 0.00 -0.63 0.12 119.26 122.02 3g2s h ALA 47 Ca 0.17 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 3g2s h ALA 47 Cb 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3g2s h ALA 47 CO -0.10 0.07 -0.52 1.79 0.00 0.00 0.00 179.25 180.50 3g2s h THR 48 N 0.72 1.33 -0.51 0.00 1.35 -1.14 0.85 112.91 115.51 3g2s h THR 48 Ca 0.33 -1.76 -0.05 0.00 -0.55 0.00 0.00 66.41 64.39 3g2s h THR 48 Cb 0.23 1.76 -0.02 0.00 -1.73 0.00 0.00 68.15 68.39 3g2s h THR 48 CO -0.20 0.54 0.14 0.03 -0.25 0.00 0.00 175.52 175.78 3g2s h ARG 49 N 0.37 0.81 -0.40 4.72 3.08 -0.88 0.11 114.38 122.18 3g2s h ARG 49 Ca 0.01 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 59.84 3g2s h ARG 49 Cb 1.03 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.95 3g2s h ARG 49 CO 0.09 0.76 0.09 -0.07 -1.07 0.00 0.00 179.97 179.77 3g2s h LEU 50 N 0.70 0.62 -0.66 3.04 3.38 -0.79 -2.64 115.31 118.96 3g2s h LEU 50 Ca 0.16 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3g2s h LEU 50 Cb 0.31 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3g2s h LEU 50 CO -0.00 0.70 0.27 -0.07 0.09 0.00 0.00 178.44 179.42 3g2s h LEU 51 N 0.51 0.91 -0.81 1.67 3.38 -0.64 -2.30 115.31 118.04 3g2s h LEU 51 Ca 0.13 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 57.97 3g2s h LEU 51 Cb 0.33 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 3g2s h LEU 51 CO 0.00 0.84 0.51 0.00 0.09 0.00 0.00 178.44 179.88 3g2s h ALA 52 N 1.12 1.08 -0.24 1.53 0.00 -0.85 -0.37 119.26 121.53 3g2s h ALA 52 Ca 0.22 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3g2s h ALA 52 Cb 0.21 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3g2s h ALA 52 CO -0.02 0.29 0.12 1.25 0.00 0.00 0.00 179.25 180.89 3g2s h HIS 53 N 0.96 0.34 -0.46 0.00 -0.00 -1.30 -2.73 115.15 111.96 3g2s h HIS 53 Ca 0.34 -0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.65 3g2s h HIS 53 Cb 0.08 -0.11 -0.02 0.00 -0.00 0.00 0.00 27.41 27.36 3g2s h HIS 53 CO -0.03 0.32 0.10 0.87 -0.00 0.00 0.00 177.93 179.19 3g2s h LYS 54 N 0.26 0.69 0.00 5.26 1.79 -0.83 -2.19 116.57 121.56 3g2s h LYS 54 Ca 0.08 -0.13 -0.06 0.00 -2.18 0.00 0.00 60.65 58.37 3g2s h LYS 54 Cb 0.10 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.63 3g2s h LYS 54 CO -0.01 0.64 -0.27 0.82 -1.08 0.00 0.00 179.45 179.55 3g2s h ILE 55 N 0.67 0.85 -0.05 1.86 2.04 -0.84 -1.58 117.51 120.47 3g2s h ILE 55 Ca 0.15 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 64.94 3g2s h ILE 55 Cb 0.26 1.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 3g2s h ILE 55 CO -0.00 0.26 0.00 0.00 0.00 0.00 0.00 178.15 178.41 3g2s n GLN 56 N -3.72 1.15 -1.98 2.37 6.02 -0.83 -4.79 117.38 115.61 3g2s n GLN 56 Ca -0.01 -0.23 -0.41 0.00 -0.01 0.00 0.00 57.00 56.34 3g2s n GLN 56 Cb 0.38 -1.23 -0.01 0.00 1.02 0.00 0.00 30.24 30.40 3g2s n GLN 56 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3g2s s SER 57 N -1.40 6.54 0.15 1.08 0.15 -0.59 -4.88 113.70 114.75 3g2s s SER 57 Ca 0.21 2.83 0.24 0.00 0.70 0.00 0.00 55.95 59.94 3g2s s SER 57 Cb 0.10 -2.66 0.92 0.00 -1.71 0.00 0.00 66.02 62.67 3g2s s SER 57 CO 0.16 -0.71 1.74 -0.81 1.20 0.00 0.00 173.24 174.82 3g2s n PRO 58 N 0.58 0.15 -2.84 5.44 -0.04 -1.26 -4.53 135.00 132.50 3g2s n PRO 58 Ca 0.01 0.24 -0.43 0.00 -0.04 0.00 0.00 63.50 63.28 3g2s n PRO 58 Cb 0.41 -1.72 -0.04 0.00 -0.04 0.00 0.00 33.50 32.11 3g2s n PRO 58 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3g2s s GLN 59 N -3.13 3.30 0.21 0.54 -0.21 -1.26 -4.95 119.66 114.16 3g2s s GLN 59 Ca 0.09 -0.33 -0.11 0.00 0.02 0.00 0.00 55.36 55.03 3g2s s GLN 59 Cb 0.12 -4.08 0.27 0.00 1.00 0.00 0.00 33.01 30.33 3g2s s GLN 59 CO 0.47 -1.53 1.70 1.49 -2.12 0.00 0.00 175.29 175.30 3g2s h GLU 60 N 9.35 0.21 -0.10 2.91 4.81 -2.00 -1.42 114.58 128.33 3g2s h GLU 60 Ca -0.26 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 58.89 3g2s h GLU 60 Cb 1.07 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 3g2s h GLU 60 CO 1.10 0.14 -0.23 2.35 -0.73 0.00 0.00 179.01 181.65 3g2s h TRP 61 N 0.22 0.19 -0.10 0.92 -0.00 -1.95 0.40 115.95 115.63 3g2s h TRP 61 Ca 0.30 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 59.16 3g2s h TRP 61 Cb 0.45 -0.05 -0.00 0.00 -0.00 0.00 0.00 29.16 29.56 3g2s h TRP 61 CO -0.27 0.40 0.04 1.49 -0.00 0.00 0.00 178.44 180.10 3g2s h GLU 62 N 0.16 0.16 -0.60 2.65 4.81 -1.50 -1.71 114.58 118.56 3g2s h GLU 62 Ca 0.03 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 3g2s h GLU 62 Cb 0.50 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 3g2s h GLU 62 CO 0.03 0.27 0.08 0.00 -0.73 0.00 0.00 179.01 178.67 3g2s h ALA 63 N 0.87 0.80 -0.59 2.92 0.00 -1.00 -1.50 119.26 120.77 3g2s h ALA 63 Ca 0.03 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 3g2s h ALA 63 Cb 0.18 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3g2s h ALA 63 CO -0.00 0.57 0.13 0.82 0.00 0.00 0.00 179.25 180.77 3g2s h ILE 64 N 0.91 1.25 -0.47 0.00 1.08 -0.96 -0.39 117.51 118.93 3g2s h ILE 64 Ca 0.18 -0.92 -0.00 0.00 -0.39 0.00 0.00 64.86 63.73 3g2s h ILE 64 Cb 0.45 0.73 -0.02 0.00 -3.07 0.00 0.00 36.82 34.90 3g2s h ILE 64 CO 0.02 0.34 0.29 1.56 -0.69 0.00 0.00 178.15 179.67 3g2s h GLN 65 N 0.85 0.63 -0.93 2.37 4.20 -1.21 -1.54 115.11 119.47 3g2s h GLN 65 Ca 0.18 -0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.89 3g2s h GLN 65 Cb 0.37 -0.13 -0.06 0.00 0.30 0.00 0.00 27.48 27.95 3g2s h GLN 65 CO 0.00 0.45 0.60 0.00 -0.67 0.00 0.00 178.83 179.21 3g2s h ALA 66 N 1.14 1.26 -0.24 3.87 0.00 -0.97 -0.13 119.26 124.20 3g2s h ALA 66 Ca 0.17 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 3g2s h ALA 66 Cb -0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3g2s h ALA 66 CO -0.03 0.42 -0.25 -0.07 0.00 0.00 0.00 179.25 179.31 3g2s h LEU 67 N 1.13 0.45 -1.02 0.00 3.38 -0.75 -1.20 115.31 117.30 3g2s h LEU 67 Ca 0.39 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 58.12 3g2s h LEU 67 Cb 0.09 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3g2s h LEU 67 CO -0.15 0.71 -0.22 0.74 0.09 0.00 0.00 178.44 179.61 3g2s h THR 68 N 0.40 1.25 -0.12 0.22 2.02 -0.31 -0.13 112.91 116.24 3g2s h THR 68 Ca 0.06 -1.18 -0.01 0.00 0.77 0.00 0.00 66.41 66.05 3g2s h THR 68 Cb 0.66 1.30 -0.00 0.00 -1.74 0.00 0.00 68.15 68.37 3g2s h THR 68 CO 0.05 0.37 0.03 0.58 0.37 0.00 0.00 175.52 176.93 3g2s h VAL 69 N 0.40 1.19 -0.39 3.16 2.07 -0.48 -1.35 116.25 120.85 3g2s h VAL 69 Ca 0.06 -0.58 0.05 0.00 0.82 0.00 0.00 66.70 67.05 3g2s h VAL 69 Cb 0.61 1.35 -0.05 0.00 -1.52 0.00 0.00 31.29 31.68 3g2s h VAL 69 CO 0.04 0.17 0.11 0.25 0.02 0.00 0.00 177.57 178.16 3g2s h LEU 70 N -0.00 0.08 -0.40 2.57 5.85 -0.96 0.61 115.31 123.05 3g2s h LEU 70 Ca 0.04 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.85 3g2s h LEU 70 Cb 0.24 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 3g2s h LEU 70 CO -0.00 0.08 0.16 -0.08 -0.34 0.00 0.00 178.44 178.27 3g2s h GLU 71 N 0.25 0.33 -0.31 1.25 4.81 -0.90 -1.25 114.58 118.77 3g2s h GLU 71 Ca 0.18 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.30 3g2s h GLU 71 Cb 0.19 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3g2s h GLU 71 CO -0.21 0.22 -0.19 1.15 -0.73 0.00 0.00 179.01 179.25 3g2s h THR 72 N 0.34 1.30 -0.11 0.32 2.02 -0.68 -2.91 112.91 113.19 3g2s h THR 72 Ca 0.18 -1.31 -0.09 0.00 0.77 0.00 0.00 66.41 65.96 3g2s h THR 72 Cb 0.14 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 3g2s h THR 72 CO -0.16 0.42 -0.36 0.00 0.37 0.00 0.00 175.52 175.79 3g2s h MET 74 N 0.19 0.38 -0.15 0.00 2.07 -1.07 0.35 114.93 116.71 3g2s h MET 74 Ca 0.02 -0.08 -0.17 0.00 -2.07 0.00 0.00 59.70 57.41 3g2s h MET 74 Cb 0.72 -0.06 0.01 0.00 -1.87 0.00 0.00 31.60 30.40 3g2s h MET 74 CO 0.05 0.45 -0.56 0.87 1.07 0.00 0.00 176.91 178.80 3g2s h LYS 75 N 0.37 0.64 0.00 1.72 1.57 -1.21 -3.40 116.57 116.27 3g2s h LYS 75 Ca 0.08 -0.49 -0.28 0.00 -1.87 0.00 0.00 60.65 58.09 3g2s h LYS 75 Cb 0.33 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.68 3g2s h LYS 75 CO 0.01 1.11 -1.73 0.43 -0.57 0.00 0.00 179.45 178.71 3g2s n SER 76 N -4.14 0.80 -4.93 0.86 7.64 -0.40 -4.95 113.62 108.49 3g2s n SER 76 Ca -0.07 0.38 -0.22 0.00 1.01 0.00 0.00 58.87 59.97 3g2s n SER 76 Cb 0.63 0.06 0.05 0.00 -1.01 0.00 0.00 64.21 63.94 3g2s n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3g2s n GLY 78 N -2.46 4.18 0.15 0.00 0.00 -1.26 -4.89 105.19 100.91 3g2s n GLY 78 Ca 0.09 -1.35 -0.13 0.00 0.00 0.00 0.00 46.02 44.64 3g2s n GLY 78 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3g2s h LYS 79 N 0.00 0.41 -0.50 1.61 3.64 -1.99 -1.59 116.57 118.14 3g2s h LYS 79 Ca 0.00 -0.19 0.05 0.00 -1.27 0.00 0.00 60.65 59.24 3g2s h LYS 79 Cb 0.00 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 3g2s h LYS 79 CO 0.00 0.72 0.24 0.00 -2.27 0.00 0.00 179.45 178.15 3g2s h ARG 80 N 0.09 0.46 -0.29 1.90 3.08 -1.99 0.17 114.38 117.80 3g2s h ARG 80 Ca 0.04 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 3g2s h ARG 80 Cb 0.62 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 3g2s h ARG 80 CO 0.03 0.30 0.09 0.35 -1.07 0.00 0.00 179.97 179.68 3g2s h PHE 81 N 0.47 0.47 -0.69 3.04 3.57 -1.88 -2.36 116.94 119.57 3g2s h PHE 81 Ca 0.22 -0.05 0.07 0.00 3.53 0.00 0.00 57.97 61.75 3g2s h PHE 81 Cb 0.15 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.71 3g2s h PHE 81 CO -0.11 0.49 0.46 0.45 -2.23 0.00 0.00 178.31 177.37 3g2s h HIS 82 N 0.32 0.69 -0.13 0.41 3.86 -0.98 -0.79 115.15 118.53 3g2s h HIS 82 Ca 0.09 0.02 -0.16 0.00 -1.16 0.00 0.00 60.37 59.16 3g2s h HIS 82 Cb 0.24 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.48 3g2s h HIS 82 CO 0.01 0.36 -0.59 -0.44 0.86 0.00 0.00 177.93 178.13 3g2s h ASP 83 N 0.68 0.49 -0.08 2.45 3.45 -0.48 -0.53 116.42 122.40 3g2s h ASP 83 Ca 0.30 -0.28 -0.22 0.00 0.43 0.00 0.00 57.03 57.26 3g2s h ASP 83 Cb 0.31 -0.14 0.01 0.00 -0.56 0.00 0.00 39.33 38.95 3g2s h ASP 83 CO -0.10 0.97 -0.80 -0.33 -1.57 0.00 0.00 179.24 177.41 3g2s h GLU 84 N 0.33 0.74 -0.04 3.56 4.39 -0.83 -2.93 114.58 119.79 3g2s h GLU 84 Ca -0.00 -0.62 -0.12 0.00 0.34 0.00 0.00 59.36 58.96 3g2s h GLU 84 Cb 1.12 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.89 3g2s h GLU 84 CO 0.10 1.23 -0.52 0.28 -1.16 0.00 0.00 179.01 178.94 3g2s h VAL 85 N 0.49 1.37 -0.25 3.13 2.07 -0.92 -2.83 116.25 119.32 3g2s h VAL 85 Ca -0.06 -1.80 0.00 0.00 0.82 0.00 0.00 66.70 65.66 3g2s h VAL 85 Cb 1.43 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 33.12 3g2s h VAL 85 CO 0.16 0.52 0.00 0.61 0.02 0.00 0.00 177.57 178.88 3g2s n GLY 86 N 0.03 1.36 3.92 2.17 0.00 -0.23 -4.28 105.19 108.16 3g2s n GLY 86 Ca -0.02 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 3g2s n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g2s s LYS 87 N -1.65 3.43 0.54 1.61 1.02 -1.07 -4.49 119.74 119.13 3g2s s LYS 87 Ca 0.20 -0.46 0.30 0.00 0.02 0.00 0.00 55.97 56.02 3g2s s LYS 87 Cb 0.14 -3.02 1.55 0.00 -0.52 0.00 0.00 37.83 35.97 3g2s s LYS 87 CO 0.09 0.60 2.10 0.74 -0.92 0.00 0.00 175.35 177.96 3g2s h PHE 88 N 2.97 0.00 -0.94 3.18 0.04 -1.88 0.32 116.94 120.63 3g2s h PHE 88 Ca -0.45 0.00 0.18 0.00 2.80 0.00 0.00 57.97 60.50 3g2s h PHE 88 Cb 1.16 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 39.21 3g2s h PHE 88 CO 0.60 0.09 0.52 -0.09 -0.60 0.00 0.00 178.31 178.84 3g2s h ARG 89 N 0.00 0.65 0.02 1.51 2.43 -1.94 0.17 114.38 117.21 3g2s h ARG 89 Ca -0.00 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 58.97 3g2s h ARG 89 Cb 0.31 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 3g2s h ARG 89 CO 0.01 0.43 -0.89 0.35 -1.51 0.00 0.00 179.97 178.36 3g2s h PHE 90 N 0.66 0.06 -0.34 2.20 3.57 -1.43 -3.40 116.94 118.26 3g2s h PHE 90 Ca 0.54 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 62.00 3g2s h PHE 90 Cb 0.85 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.57 3g2s h PHE 90 CO -0.05 1.35 0.22 -0.07 -2.23 0.00 0.00 178.31 177.53 3g2s h LEU 91 N -0.91 0.38 -1.87 0.59 -0.00 -0.62 0.15 115.31 113.04 3g2s h LEU 91 Ca -0.23 -0.01 0.05 0.00 -0.00 0.00 0.00 57.88 57.68 3g2s h LEU 91 Cb 1.27 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 41.82 3g2s h LEU 91 CO -0.11 0.28 0.19 0.78 -0.00 0.00 0.00 178.44 179.57 3g2s h ASN 92 N 0.45 0.15 0.26 -0.43 2.35 -0.88 -0.57 115.58 116.91 3g2s h ASN 92 Ca 0.12 -0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.72 3g2s h ASN 92 Cb -0.04 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 3g2s h ASN 92 CO -0.03 0.10 -0.62 -0.33 -1.65 0.00 0.00 177.43 174.90 3g2s h GLU 93 N 0.17 0.35 -0.23 0.81 4.39 -1.17 -0.90 114.58 117.99 3g2s h GLU 93 Ca 0.12 -0.25 -0.08 0.00 0.34 0.00 0.00 59.36 59.49 3g2s h GLU 93 Cb 0.27 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 3g2s h GLU 93 CO -0.02 0.86 -0.17 -0.07 -1.16 0.00 0.00 179.01 178.46 3g2s h LEU 94 N 0.26 0.55 -0.63 1.33 3.38 -1.26 -2.93 115.31 116.01 3g2s h LEU 94 Ca -0.01 -0.44 0.12 0.00 0.09 0.00 0.00 57.88 57.64 3g2s h LEU 94 Cb 1.15 -0.15 -0.09 0.00 0.09 0.00 0.00 40.66 41.66 3g2s h LEU 94 CO 0.10 0.87 0.15 0.40 0.09 0.00 0.00 178.44 180.06 3g2s h ILE 95 N 0.23 0.63 -0.19 1.22 2.04 -0.96 -1.86 117.51 118.63 3g2s h ILE 95 Ca 0.05 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 3g2s h ILE 95 Cb 0.69 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 3g2s h ILE 95 CO 0.04 0.05 0.02 0.11 0.00 0.00 0.00 178.15 178.38 3g2s h LYS 96 N 0.28 0.27 -0.44 2.37 1.57 -1.09 -1.25 116.57 118.27 3g2s h LYS 96 Ca 0.33 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.98 3g2s h LYS 96 Cb 0.50 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 3g2s h LYS 96 CO -0.41 0.27 -0.11 0.28 -0.57 0.00 0.00 179.45 178.92 3g2s h VAL 97 N 0.26 1.26 0.00 0.50 2.07 -1.16 -0.38 116.25 118.81 3g2s h VAL 97 Ca 0.06 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.42 3g2s h VAL 97 Cb 0.15 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3g2s h VAL 97 CO 0.00 0.40 -1.27 1.33 0.02 0.00 0.00 177.57 178.05 3g2s n VAL 98 N -4.16 0.18 -2.84 2.57 0.24 -1.02 -3.15 118.33 110.15 3g2s n VAL 98 Ca 0.01 -0.33 -0.41 0.00 -2.04 0.00 0.00 64.34 61.58 3g2s n VAL 98 Cb 0.37 0.14 -0.05 0.00 -1.47 0.00 0.00 33.84 32.83 3g2s n VAL 98 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3g2s s SER 99 N -4.21 7.38 0.59 -1.34 0.15 -0.50 -4.58 113.70 111.18 3g2s s SER 99 Ca 0.00 1.65 0.36 0.00 0.70 0.00 0.00 55.95 58.66 3g2s s SER 99 Cb 0.14 -2.54 1.85 0.00 -1.71 0.00 0.00 66.02 63.76 3g2s s SER 99 CO 0.83 -0.03 2.19 -0.65 1.20 0.00 0.00 173.24 176.78 3g2s h PRO 100 N 5.61 0.00 0.00 5.44 0.11 -1.90 0.83 132.00 142.10 3g2s h PRO 100 Ca -0.43 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 3g2s h PRO 100 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3g2s h PRO 100 CO 0.71 0.04 -0.05 0.87 -0.21 0.00 0.00 178.00 179.37 3g2s h LYS 101 N 0.00 0.00 0.00 1.05 1.57 -1.93 -3.42 116.57 113.84 3g2s h LYS 101 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3g2s h LYS 101 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3g2s h LYS 101 CO 0.00 0.05 0.00 0.66 -0.57 0.00 0.00 179.45 179.59 3g2s n TYR 102 N -3.32 0.00 0.76 -1.35 4.02 -0.67 -5.00 117.16 111.60 3g2s n TYR 102 Ca -0.02 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.95 3g2s n TYR 102 Cb 0.19 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.47 3g2s n TYR 102 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3g2s n LEU 103 N 0.00 1.29 -0.11 7.72 4.77 -0.15 -4.68 117.00 125.84 3g2s n LEU 103 Ca 0.00 -0.65 0.06 0.00 -0.03 0.00 0.00 56.01 55.39 3g2s n LEU 103 Cb 0.00 0.00 0.39 0.00 -2.33 0.00 0.00 43.42 41.48 3g2s n LEU 103 CO 0.00 0.27 1.20 1.23 -1.33 0.00 0.00 177.39 178.75 3g2s h GLY 104 N 3.76 0.78 2.00 -0.72 0.00 -0.82 -2.21 103.07 105.86 3g2s h GLY 104 Ca 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 3g2s h GLY 104 CO 0.00 0.21 -0.04 1.48 0.00 0.00 0.00 176.54 178.20 3g2s h SER 105 N 0.66 0.00 0.00 0.19 4.64 -1.81 -3.10 113.55 114.12 3g2s h SER 105 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 3g2s h SER 105 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3g2s h SER 105 CO -0.07 0.04 -0.07 -2.11 -0.87 0.00 0.00 176.83 173.74 3g2s n ARG 106 N -3.28 1.49 -2.94 4.77 1.85 -0.87 -5.03 116.66 112.64 3g2s n ARG 106 Ca -0.02 -1.78 -0.37 0.00 -1.00 0.00 0.00 57.85 54.68 3g2s n ARG 106 Cb 0.19 -1.08 -0.06 0.00 -1.05 0.00 0.00 32.46 30.45 3g2s n ARG 106 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3g2s s THR 107 N -1.54 4.37 0.29 8.89 2.01 -0.94 -5.02 115.64 123.70 3g2s s THR 107 Ca 0.14 1.61 -0.30 0.00 0.31 0.00 0.00 61.69 63.45 3g2s s THR 107 Cb 0.12 -4.00 -0.11 0.00 0.01 0.00 0.00 72.50 68.52 3g2s s THR 107 CO 0.01 0.28 1.50 -0.55 -0.69 0.00 0.00 174.62 175.17 3g2s s SER 108 N -1.49 6.51 0.40 3.53 0.15 -1.26 -4.88 113.70 116.65 3g2s s SER 108 Ca 0.44 2.84 0.13 0.00 0.70 0.00 0.00 55.95 60.05 3g2s s SER 108 Cb -0.19 -2.64 0.95 0.00 -1.71 0.00 0.00 66.02 62.43 3g2s s SER 108 CO 0.24 -0.80 1.90 -0.33 1.20 0.00 0.00 173.24 175.45 3g2s h GLU 109 N 4.54 0.52 -0.77 5.44 3.07 -1.96 -1.36 114.58 124.06 3g2s h GLU 109 Ca -0.47 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.32 3g2s h GLU 109 Cb 1.22 -0.12 -0.04 0.00 -0.84 0.00 0.00 28.75 28.98 3g2s h GLU 109 CO 0.75 0.34 0.35 -0.22 -1.40 0.00 0.00 179.01 178.84 3g2s h LYS 110 N 0.54 1.11 -0.15 2.33 3.64 -1.99 0.05 116.57 122.09 3g2s h LYS 110 Ca 0.41 -0.17 -0.12 0.00 -1.27 0.00 0.00 60.65 59.50 3g2s h LYS 110 Cb 0.80 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 3g2s h LYS 110 CO -0.16 0.87 -0.36 0.28 -2.27 0.00 0.00 179.45 177.81 3g2s h VAL 111 N 1.10 1.36 -0.64 2.00 2.07 -1.72 -2.18 116.25 118.23 3g2s h VAL 111 Ca 0.26 -1.63 -0.03 0.00 0.82 0.00 0.00 66.70 66.12 3g2s h VAL 111 Cb 0.14 2.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 3g2s h VAL 111 CO -0.03 0.49 0.29 0.11 0.02 0.00 0.00 177.57 178.45 3g2s h LYS 112 N 0.13 0.93 -0.69 1.57 1.57 -1.08 -1.80 116.57 117.20 3g2s h LYS 112 Ca -0.00 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.56 3g2s h LYS 112 Cb 0.97 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 33.09 3g2s h LYS 112 CO 0.08 0.76 0.18 -0.91 -0.57 0.00 0.00 179.45 178.99 3g2s h ASN 113 N 0.89 1.02 -0.47 0.86 -0.26 -0.97 -1.81 115.58 114.85 3g2s h ASN 113 Ca 0.22 -0.21 -0.11 0.00 -0.56 0.00 0.00 56.30 55.64 3g2s h ASN 113 Cb 0.15 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 37.12 3g2s h ASN 113 CO -0.02 0.98 -0.13 0.50 -1.06 0.00 0.00 177.43 177.69 3g2s h LYS 114 N 1.03 0.95 -0.54 0.81 1.63 -1.16 -0.43 116.57 118.87 3g2s h LYS 114 Ca 0.22 -0.36 0.01 0.00 -0.85 0.00 0.00 60.65 59.68 3g2s h LYS 114 Cb 0.34 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.89 3g2s h LYS 114 CO -0.00 1.02 0.34 0.82 -3.45 0.00 0.00 179.45 178.19 3g2s h ILE 115 N 0.85 1.11 -0.59 2.00 2.04 -0.97 -0.95 117.51 120.99 3g2s h ILE 115 Ca 0.13 -0.24 -0.09 0.00 1.00 0.00 0.00 64.86 65.66 3g2s h ILE 115 Cb 0.68 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3g2s h ILE 115 CO 0.05 0.13 0.00 -0.07 0.00 0.00 0.00 178.15 178.26 3g2s h LEU 116 N 0.70 1.00 -0.29 1.44 3.38 -0.99 -1.35 115.31 119.19 3g2s h LEU 116 Ca 0.20 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3g2s h LEU 116 Cb -0.04 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 3g2s h LEU 116 CO -0.06 1.05 0.18 -0.33 0.09 0.00 0.00 178.44 179.36 3g2s h GLU 117 N 0.94 0.39 -0.15 1.13 4.39 -0.89 -1.18 114.58 119.21 3g2s h GLU 117 Ca 0.17 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.81 3g2s h GLU 117 Cb 0.54 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.10 3g2s h GLU 117 CO 0.03 0.29 -0.02 -0.07 -1.16 0.00 0.00 179.01 178.08 3g2s h LEU 118 N 0.37 0.28 -0.38 1.33 3.38 -0.88 -0.32 115.31 119.10 3g2s h LEU 118 Ca 0.10 -0.35 0.06 0.00 0.09 0.00 0.00 57.88 57.78 3g2s h LEU 118 Cb -0.00 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 3g2s h LEU 118 CO -0.02 0.57 0.07 -0.07 0.09 0.00 0.00 178.44 179.08 3g2s h LEU 119 N -0.00 0.00 -0.53 1.67 3.38 -1.24 -0.91 115.31 117.68 3g2s h LEU 119 Ca 0.04 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3g2s h LEU 119 Cb 0.43 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 3g2s h LEU 119 CO 0.01 0.04 0.35 0.22 0.09 0.00 0.00 178.44 179.15 3g2s h TYR 120 N 0.19 0.66 -0.69 1.13 3.20 -1.10 -1.53 116.97 118.84 3g2s h TYR 120 Ca 0.18 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.12 3g2s h TYR 120 Cb 0.21 -0.22 -0.05 0.00 1.54 0.00 0.00 36.73 38.21 3g2s h TYR 120 CO -0.20 0.42 0.40 0.66 -1.64 0.00 0.00 178.16 177.80 3g2s h SER 121 N 0.71 0.60 0.29 -2.11 4.64 -0.39 -1.74 113.55 115.55 3g2s h SER 121 Ca 0.19 0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.44 3g2s h SER 121 Cb -0.08 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 61.91 3g2s h SER 121 CO -0.04 0.39 -0.39 -0.50 -0.87 0.00 0.00 176.83 175.42 3g2s h TRP 122 N 0.74 0.17 -0.15 4.77 6.55 -0.64 0.45 115.95 127.83 3g2s h TRP 122 Ca 0.31 -0.04 -0.00 0.00 0.95 0.00 0.00 58.89 60.10 3g2s h TRP 122 Cb 0.17 -0.04 -0.01 0.00 -0.86 0.00 0.00 29.16 28.42 3g2s h TRP 122 CO -0.07 0.52 0.08 1.79 -1.05 0.00 0.00 178.44 179.71 3g2s h THR 123 N 0.13 1.05 0.10 1.49 1.35 -0.36 0.98 112.91 117.65 3g2s h THR 123 Ca 0.01 -0.15 -0.36 0.00 -0.55 0.00 0.00 66.41 65.37 3g2s h THR 123 Cb 0.75 0.85 -0.02 0.00 -1.73 0.00 0.00 68.15 68.00 3g2s h THR 123 CO 0.06 0.06 -1.99 0.52 -0.25 0.00 0.00 175.52 173.91 3g2s n VAL 124 N -4.49 1.73 0.08 6.82 0.31 -1.06 -3.98 118.33 117.74 3g2s n VAL 124 Ca -0.01 -0.59 -0.07 0.00 -0.01 0.00 0.00 64.34 63.66 3g2s n VAL 124 Cb 0.10 -1.73 -0.05 0.00 -0.91 0.00 0.00 33.84 31.24 3g2s n VAL 124 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3g2s h GLY 125 N 0.98 0.08 -5.93 2.92 0.00 -0.81 -3.37 103.07 96.93 3g2s h GLY 125 Ca -0.44 -0.17 -0.54 0.00 0.00 0.00 0.00 47.33 46.18 3g2s h GLY 125 CO 0.04 0.15 -1.02 1.04 0.00 0.00 0.00 176.54 176.74 3g2s n LEU 126 N -3.51 1.41 0.16 3.11 4.77 0.33 -4.96 117.00 118.32 3g2s n LEU 126 Ca -0.02 -5.03 0.12 0.00 -0.03 0.00 0.00 56.01 51.05 3g2s n LEU 126 Cb 0.87 0.36 0.57 0.00 -2.33 0.00 0.00 43.42 42.89 3g2s n LEU 126 CO 0.47 2.19 0.85 -0.81 -1.33 0.00 0.00 177.39 178.77 3g2s n PRO 127 N 0.69 0.17 0.23 3.23 -0.04 -1.25 -1.86 135.00 136.16 3g2s n PRO 127 Ca 0.25 0.57 0.08 0.00 -0.04 0.00 0.00 63.50 64.36 3g2s n PRO 127 Cb 0.55 -1.95 0.55 0.00 -0.04 0.00 0.00 33.50 32.61 3g2s n PRO 127 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3g2s h GLU 128 N 0.00 0.00 -5.80 0.54 3.07 -1.91 -3.39 114.58 107.09 3g2s h GLU 128 Ca 0.00 0.00 -0.48 0.00 -0.50 0.00 0.00 59.36 58.38 3g2s h GLU 128 Cb 0.14 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 27.98 3g2s h GLU 128 CO 0.00 0.22 1.39 -1.21 -1.40 0.00 0.00 179.01 178.01 3g2s s GLU 129 N -4.13 3.18 0.38 2.33 0.41 -0.78 -4.83 118.70 115.25 3g2s s GLU 129 Ca -0.02 -1.15 0.07 0.00 -0.41 0.00 0.00 54.97 53.46 3g2s s GLU 129 Cb 0.13 -5.30 0.74 0.00 -1.78 0.00 0.00 34.13 27.92 3g2s s GLU 129 CO 0.64 -2.93 1.95 -0.39 -0.49 0.00 0.00 175.26 174.05 3g2s h VAL 130 N 6.46 1.16 0.00 2.63 -1.51 -1.88 -2.72 116.25 120.39 3g2s h VAL 130 Ca 0.24 -0.57 -0.18 0.00 -1.23 0.00 0.00 66.70 64.96 3g2s h VAL 130 Cb 0.96 0.87 -0.02 0.00 -2.13 0.00 0.00 31.29 30.97 3g2s h VAL 130 CO 1.33 0.20 -0.84 0.11 -1.23 0.00 0.00 177.57 177.15 3g2s h LYS 131 N 0.44 0.10 -0.52 5.19 1.57 -1.88 -0.76 116.57 120.72 3g2s h LYS 131 Ca 0.10 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3g2s h LYS 131 Cb 0.21 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 3g2s h LYS 131 CO -0.00 0.87 0.30 0.82 -0.57 0.00 0.00 179.45 180.88 3g2s h ILE 132 N 0.05 1.16 -0.60 1.86 2.04 -1.73 -0.88 117.51 119.42 3g2s h ILE 132 Ca -0.03 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.46 3g2s h ILE 132 Cb 1.46 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.99 3g2s h ILE 132 CO 0.12 0.17 0.39 0.00 0.00 0.00 0.00 178.15 178.83 3g2s h ALA 133 N 1.14 0.77 -0.64 1.87 0.00 -1.22 -1.22 119.26 119.96 3g2s h ALA 133 Ca 0.18 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3g2s h ALA 133 Cb 0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3g2s h ALA 133 CO -0.03 0.21 0.21 0.93 0.00 0.00 0.00 179.25 180.56 3g2s h GLU 134 N 0.82 0.99 -0.42 0.00 5.08 -0.95 -0.81 114.58 119.29 3g2s h GLU 134 Ca 0.22 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 3g2s h GLU 134 Cb -0.08 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 3g2s h GLU 134 CO -0.05 0.86 0.07 0.00 -1.00 0.00 0.00 179.01 178.90 3g2s h ALA 135 N 1.08 0.56 -0.54 3.43 0.00 -0.97 -1.22 119.26 121.59 3g2s h ALA 135 Ca 0.21 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3g2s h ALA 135 Cb 0.28 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3g2s h ALA 135 CO -0.01 0.27 -0.03 -0.92 0.00 0.00 0.00 179.25 178.57 3g2s h TYR 136 N 0.55 1.08 -0.73 0.00 3.20 -1.04 -0.88 116.97 119.14 3g2s h TYR 136 Ca 0.13 -0.20 -0.02 0.00 3.14 0.00 0.00 58.73 61.78 3g2s h TYR 136 Cb 0.37 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 3g2s h TYR 136 CO 0.03 0.99 0.37 0.37 -1.64 0.00 0.00 178.16 178.28 3g2s h GLN 137 N 0.86 1.04 -0.42 1.82 4.15 -1.07 -1.87 115.11 119.62 3g2s h GLN 137 Ca 0.15 -0.14 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 3g2s h GLN 137 Cb 0.58 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 28.05 3g2s h GLN 137 CO 0.03 0.80 0.17 1.98 -1.93 0.00 0.00 178.83 179.88 3g2s h MET 138 N 1.02 0.63 -0.90 1.69 4.05 -0.99 -0.91 114.93 119.51 3g2s h MET 138 Ca 0.25 -0.11 0.02 0.00 -0.28 0.00 0.00 59.70 59.58 3g2s h MET 138 Cb 0.08 -0.10 -0.05 0.00 -0.80 0.00 0.00 31.60 30.73 3g2s h MET 138 CO -0.04 0.58 0.60 -0.07 0.23 0.00 0.00 176.91 178.21 3g2s h LEU 139 N 0.53 1.00 -0.26 3.39 3.38 -0.60 -0.24 115.31 122.51 3g2s h LEU 139 Ca 0.14 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 3g2s h LEU 139 Cb 0.19 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3g2s h LEU 139 CO -0.01 0.71 -0.23 0.11 0.09 0.00 0.00 178.44 179.11 3g2s h LYS 140 N 1.18 0.62 -0.98 1.13 1.79 -1.04 -0.97 116.57 118.29 3g2s h LYS 140 Ca 0.35 -0.31 0.10 0.00 -2.18 0.00 0.00 60.65 58.61 3g2s h LYS 140 Cb -0.05 0.01 -0.08 0.00 -1.58 0.00 0.00 32.23 30.53 3g2s h LYS 140 CO -0.09 0.91 0.63 -0.22 -1.08 0.00 0.00 179.45 179.59 3g2s h LYS 141 N 0.34 0.98 -0.16 3.15 3.11 -0.60 -1.95 116.57 121.44 3g2s h LYS 141 Ca 0.05 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 3g2s h LYS 141 Cb 0.78 -0.22 0.00 0.00 -1.00 0.00 0.00 32.23 31.79 3g2s h LYS 141 CO 0.06 0.65 0.00 1.04 -2.81 0.00 0.00 179.45 178.39 3g2s n GLN 142 N -4.57 1.53 -1.55 1.90 1.13 -0.15 -4.94 117.38 110.73 3g2s n GLN 142 Ca 0.17 -0.80 -0.05 0.00 -1.94 0.00 0.00 57.00 54.38 3g2s n GLN 142 Cb 0.31 -1.31 -0.01 0.00 0.11 0.00 0.00 30.24 29.34 3g2s n GLN 142 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3g2s n GLY 143 N 0.98 0.51 3.58 1.08 0.00 -0.73 -5.00 105.19 105.61 3g2s n GLY 143 Ca 0.13 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 3g2s n GLY 143 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3g2s s ILE 144 N -2.22 4.15 0.25 -0.61 -1.09 -0.42 -5.00 121.20 116.25 3g2s s ILE 144 Ca 0.00 0.90 0.02 0.00 -2.23 0.00 0.00 60.65 59.34 3g2s s ILE 144 Cb 0.00 -4.65 -0.05 0.00 -1.58 0.00 0.00 42.46 36.18 3g2s s ILE 144 CO 0.00 -1.18 0.06 0.68 -1.23 0.00 0.00 174.94 173.27 3g2s s VAL 145 N 4.60 0.73 0.49 2.92 -7.23 -1.26 -4.51 120.40 116.14 3g2s s VAL 145 Ca 0.42 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 58.37 3g2s s VAL 145 Cb -0.08 -2.53 -0.07 0.00 0.56 0.00 0.00 36.38 34.26 3g2s s VAL 145 CO 0.27 -0.13 1.20 -0.54 -0.31 0.00 0.00 175.10 175.59 3g2s s LYS 146 N -3.97 3.57 0.00 4.82 1.02 -1.26 -4.98 119.74 118.94 3g2s s LYS 146 Ca 0.34 1.86 0.00 0.00 0.02 0.00 0.00 55.97 58.19 3g2s s LYS 146 Cb 0.07 -2.33 0.00 0.00 -0.52 0.00 0.00 37.83 35.06 3g2s s LYS 146 CO 0.12 -0.73 0.00 0.43 -0.92 0.00 0.00 175.35 174.24